methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate

C19H22N2O5 — CID 2475619

IUPACmethyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate
SMILESCOC(=O)CCn1c(C)cc(C(=O)COc2ccccc2C(N)=O)c1C
InChIInChI=1S/C19H22N2O5/c1-12-10-15(13(2)21(12)9-8-18(23)25-3)16(22)11-26-17-7-5-4-6-14(17)19(20)24/h4-7,10H,8-9,11H2,1-3H3,(H2,20,24)
InChIKeyFYYVKBJGCYJVKE-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.03
Rot. Bonds8

About methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate

methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate (PubChem CID 2475619) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate
PubChem CID2475619
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namemethyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate
SMILESCOC(=O)CCn1c(C)cc(C(=O)COc2ccccc2C(N)=O)c1C
InChIInChI=1S/C19H22N2O5/c1-12-10-15(13(2)21(12)9-8-18(23)25-3)16(22)11-26-17-7-5-4-6-14(17)19(20)24/h4-7,10H,8-9,11H2,1-3H3,(H2,20,24)
InChIKeyFYYVKBJGCYJVKE-UHFFFAOYSA-N
XLogP2.03
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate?
The IUPAC name of methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate (CID 2475619) is methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate is COC(=O)CCn1c(C)cc(C(=O)COc2ccccc2C(N)=O)c1C.
What is the InChIKey of methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate?
The InChIKey is FYYVKBJGCYJVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12-10-15(13(2)21(12)9-8-18(23)25-3)16(22)11-26-17-7-5-4-6-14(17)19(20)24/h4-7,10H,8-9,11H2,1-3H3,(H2,20,24).
What are the key properties of methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate?
methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate has a molecular weight of 358.39 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[2-(2-carbamoylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate is sourced from PubChem (CID 2475619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).